N-pentyl-N-(1H-pyrrol-2-yl)formamide

C10H16N2O — CID 173285327

IUPACN-pentyl-N-(1H-pyrrol-2-yl)formamide
SMILESCCCCCN(C=O)c1ccc[nH]1
InChIInChI=1S/C10H16N2O/c1-2-3-4-8-12(9-13)10-6-5-7-11-10/h5-7,9,11H,2-4,8H2,1H3
InChIKeyBJLFMXZSCLJJFN-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.17
Rot. Bonds6

About N-pentyl-N-(1H-pyrrol-2-yl)formamide

N-pentyl-N-(1H-pyrrol-2-yl)formamide (PubChem CID 173285327) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-pentyl-N-(1H-pyrrol-2-yl)formamide.

Molecular Properties

Compound NameN-pentyl-N-(1H-pyrrol-2-yl)formamide
PubChem CID173285327
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-pentyl-N-(1H-pyrrol-2-yl)formamide
SMILESCCCCCN(C=O)c1ccc[nH]1
InChIInChI=1S/C10H16N2O/c1-2-3-4-8-12(9-13)10-6-5-7-11-10/h5-7,9,11H,2-4,8H2,1H3
InChIKeyBJLFMXZSCLJJFN-UHFFFAOYSA-N
XLogP2.17
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-N'-octyl-N'-(1H-pyrrol-2-yl)ethane-1,2-diamine
CID 71575889
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CID 173176320
2-hexacosyl-1H-pyrrole
CID 173177329
N-(3-chloropropyl)-N-methyl-1H-pyrrol-2-amine
CID 115215519
N-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine;titanium
CID 87971056
3-nonyl-1H-pyridin-2-one
CID 91411158
N-formyl-N-(N-pentylanilino)formamide
CID 174978082
hexane;1H-pyridin-2-one
CID 175013137
N-butyl-N-(1H-pyrrol-2-ylmethyl)acetamide
CID 11492092
N-(1H-pyrrol-2-ylmethyl)butan-1-amine
CID 60662724
N-[(4-fluorophenyl)methyl]-N-pentylformamide
CID 177471699
N-pentyl-N-phenylmethoxyformamide
CID 88956477

Frequently Asked Questions

What is the IUPAC name of N-pentyl-N-(1H-pyrrol-2-yl)formamide?
The IUPAC name of N-pentyl-N-(1H-pyrrol-2-yl)formamide (CID 173285327) is N-pentyl-N-(1H-pyrrol-2-yl)formamide.
What is the SMILES notation for N-pentyl-N-(1H-pyrrol-2-yl)formamide?
The canonical SMILES for N-pentyl-N-(1H-pyrrol-2-yl)formamide is CCCCCN(C=O)c1ccc[nH]1.
What is the InChIKey of N-pentyl-N-(1H-pyrrol-2-yl)formamide?
The InChIKey is BJLFMXZSCLJJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-3-4-8-12(9-13)10-6-5-7-11-10/h5-7,9,11H,2-4,8H2,1H3.
What are the key properties of N-pentyl-N-(1H-pyrrol-2-yl)formamide?
N-pentyl-N-(1H-pyrrol-2-yl)formamide has a molecular weight of 180.25 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-N-(1H-pyrrol-2-yl)formamide is sourced from PubChem (CID 173285327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).