4-imino-3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)but-2-en-2-amine

C19H20N4 — CID 174085117

IUPAC4-imino-3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)but-2-en-2-amine
SMILES[H]/N=C/C(=C(C)N)c1[nH]c2ccc3nccc3c2c2c1CCCC2
InChIInChI=1S/C19H20N4/c1-11(21)15(10-20)19-13-5-3-2-4-12(13)18-14-8-9-22-16(14)6-7-17(18)23-19/h6-10,20,23H,2-5,21H2,1H3/b15-11?,20-10+
InChIKeyFKLQPJWDGMIRMG-ZAKJPKGJSA-N
MW304.40 g/mol
LogP3.93
Rot. Bonds2

About 4-imino-3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)but-2-en-2-amine

4-imino-3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)but-2-en-2-amine (PubChem CID 174085117) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 4-imino-3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)but-2-en-2-amine.

Molecular Properties

Compound Name4-imino-3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)but-2-en-2-amine
PubChem CID174085117
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name4-imino-3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)but-2-en-2-amine
SMILES[H]/N=C/C(=C(C)N)c1[nH]c2ccc3nccc3c2c2c1CCCC2
InChIInChI=1S/C19H20N4/c1-11(21)15(10-20)19-13-5-3-2-4-12(13)18-14-8-9-22-16(14)6-7-17(18)23-19/h6-10,20,23H,2-5,21H2,1H3/b15-11?,20-10+
InChIKeyFKLQPJWDGMIRMG-ZAKJPKGJSA-N
XLogP3.93
TPSA78.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-imino-3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)but-2-en-2-amine?
The IUPAC name of 4-imino-3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)but-2-en-2-amine (CID 174085117) is 4-imino-3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)but-2-en-2-amine.
What is the SMILES notation for 4-imino-3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)but-2-en-2-amine?
The canonical SMILES for 4-imino-3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)but-2-en-2-amine is [H]/N=C/C(=C(C)N)c1[nH]c2ccc3nccc3c2c2c1CCCC2.
What is the InChIKey of 4-imino-3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)but-2-en-2-amine?
The InChIKey is FKLQPJWDGMIRMG-ZAKJPKGJSA-N. The full InChI is InChI=1S/C19H20N4/c1-11(21)15(10-20)19-13-5-3-2-4-12(13)18-14-8-9-22-16(14)6-7-17(18)23-19/h6-10,20,23H,2-5,21H2,1H3/b15-11?,20-10+.
What are the key properties of 4-imino-3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)but-2-en-2-amine?
4-imino-3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)but-2-en-2-amine has a molecular weight of 304.40 g/mol, XLogP of 3.93, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)but-2-en-2-amine is sourced from PubChem (CID 174085117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).