N-[(Z)-hex-2-en-2-yl]-3H-pyrrol-2-amine

C10H16N2 — CID 167067973

IUPACN-[(Z)-hex-2-en-2-yl]-3H-pyrrol-2-amine
SMILESCCC/C=C(/C)NC1=NC=CC1
InChIInChI=1S/C10H16N2/c1-3-4-6-9(2)12-10-7-5-8-11-10/h5-6,8H,3-4,7H2,1-2H3,(H,11,12)/b9-6-
InChIKeyNFGBBWFOKSLATQ-TWGQIWQCSA-N
MW164.25 g/mol
LogP2.60
Rot. Bonds3

About N-[(Z)-hex-2-en-2-yl]-3H-pyrrol-2-amine

N-[(Z)-hex-2-en-2-yl]-3H-pyrrol-2-amine (PubChem CID 167067973) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-[(Z)-hex-2-en-2-yl]-3H-pyrrol-2-amine.

Molecular Properties

Compound NameN-[(Z)-hex-2-en-2-yl]-3H-pyrrol-2-amine
PubChem CID167067973
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-[(Z)-hex-2-en-2-yl]-3H-pyrrol-2-amine
SMILESCCC/C=C(/C)NC1=NC=CC1
InChIInChI=1S/C10H16N2/c1-3-4-6-9(2)12-10-7-5-8-11-10/h5-6,8H,3-4,7H2,1-2H3,(H,11,12)/b9-6-
InChIKeyNFGBBWFOKSLATQ-TWGQIWQCSA-N
XLogP2.60
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-hex-2-en-2-yl]-3H-pyrrol-2-amine?
The IUPAC name of N-[(Z)-hex-2-en-2-yl]-3H-pyrrol-2-amine (CID 167067973) is N-[(Z)-hex-2-en-2-yl]-3H-pyrrol-2-amine.
What is the SMILES notation for N-[(Z)-hex-2-en-2-yl]-3H-pyrrol-2-amine?
The canonical SMILES for N-[(Z)-hex-2-en-2-yl]-3H-pyrrol-2-amine is CCC/C=C(/C)NC1=NC=CC1.
What is the InChIKey of N-[(Z)-hex-2-en-2-yl]-3H-pyrrol-2-amine?
The InChIKey is NFGBBWFOKSLATQ-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-4-6-9(2)12-10-7-5-8-11-10/h5-6,8H,3-4,7H2,1-2H3,(H,11,12)/b9-6-.
What are the key properties of N-[(Z)-hex-2-en-2-yl]-3H-pyrrol-2-amine?
N-[(Z)-hex-2-en-2-yl]-3H-pyrrol-2-amine has a molecular weight of 164.25 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-hex-2-en-2-yl]-3H-pyrrol-2-amine is sourced from PubChem (CID 167067973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).