4-iodo-N,N-dimethyl-3-[(Z)-prop-1-enyl]-1H-pyrrol-2-amine

C9H13IN2 — CID 135219807

IUPAC4-iodo-N,N-dimethyl-3-[(Z)-prop-1-enyl]-1H-pyrrol-2-amine
SMILESC/C=C\c1c(I)c[nH]c1N(C)C
InChIInChI=1S/C9H13IN2/c1-4-5-7-8(10)6-11-9(7)12(2)3/h4-6,11H,1-3H3/b5-4-
InChIKeyXCGOVBYPVLQWEH-PLNGDYQASA-N
MW276.12 g/mol
LogP2.72
Rot. Bonds2

About 4-iodo-N,N-dimethyl-3-[(Z)-prop-1-enyl]-1H-pyrrol-2-amine

4-iodo-N,N-dimethyl-3-[(Z)-prop-1-enyl]-1H-pyrrol-2-amine (PubChem CID 135219807) has the molecular formula C9H13IN2 and a molecular weight of 276.12 g/mol. Its IUPAC name is 4-iodo-N,N-dimethyl-3-[(Z)-prop-1-enyl]-1H-pyrrol-2-amine.

Molecular Properties

Compound Name4-iodo-N,N-dimethyl-3-[(Z)-prop-1-enyl]-1H-pyrrol-2-amine
PubChem CID135219807
Molecular FormulaC9H13IN2
Molecular Weight276.12 g/mol
Exact Mass276.01
IUPAC Name4-iodo-N,N-dimethyl-3-[(Z)-prop-1-enyl]-1H-pyrrol-2-amine
SMILESC/C=C\c1c(I)c[nH]c1N(C)C
InChIInChI=1S/C9H13IN2/c1-4-5-7-8(10)6-11-9(7)12(2)3/h4-6,11H,1-3H3/b5-4-
InChIKeyXCGOVBYPVLQWEH-PLNGDYQASA-N
XLogP2.72
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-N,N-dimethyl-3-[(Z)-prop-1-enyl]-1H-pyrrol-2-amine?
The IUPAC name of 4-iodo-N,N-dimethyl-3-[(Z)-prop-1-enyl]-1H-pyrrol-2-amine (CID 135219807) is 4-iodo-N,N-dimethyl-3-[(Z)-prop-1-enyl]-1H-pyrrol-2-amine.
What is the SMILES notation for 4-iodo-N,N-dimethyl-3-[(Z)-prop-1-enyl]-1H-pyrrol-2-amine?
The canonical SMILES for 4-iodo-N,N-dimethyl-3-[(Z)-prop-1-enyl]-1H-pyrrol-2-amine is C/C=C\c1c(I)c[nH]c1N(C)C.
What is the InChIKey of 4-iodo-N,N-dimethyl-3-[(Z)-prop-1-enyl]-1H-pyrrol-2-amine?
The InChIKey is XCGOVBYPVLQWEH-PLNGDYQASA-N. The full InChI is InChI=1S/C9H13IN2/c1-4-5-7-8(10)6-11-9(7)12(2)3/h4-6,11H,1-3H3/b5-4-.
What are the key properties of 4-iodo-N,N-dimethyl-3-[(Z)-prop-1-enyl]-1H-pyrrol-2-amine?
4-iodo-N,N-dimethyl-3-[(Z)-prop-1-enyl]-1H-pyrrol-2-amine has a molecular weight of 276.12 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N,N-dimethyl-3-[(Z)-prop-1-enyl]-1H-pyrrol-2-amine is sourced from PubChem (CID 135219807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).